SCHEMBL13201205

SCHEMBL13201205

C=C(C)C(=O)OCNC(=O)OCC1CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 6/20 0.34
TSHR P16473 1/20 0.33
EPHX2 P34913 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13201194 0.88 ALDH1A1 (0.34) ALDH1A1KDM4ETSHREPHX2CYP1A2
SCHEMBL1355052 0.87 ALDH1A1 (0.46) ALDH1A1KDM4ETSHREPHX2LMNA
Methacrylic Acid SCHEMBL5066175 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRLMNAPOLB
SCHEMBL13201212 0.81 KDM4E (0.34) ALDH1A1KDM4EEPHX2HPGDLMNA
SCHEMBL27353799 0.78 KMT2A (0.43) ALDH1A1KDM4EEPHX2CYP1A2CYP3A4
SCHEMBL13310502 0.77 KDM4E (0.38) ALDH1A1KDM4EEPHX2HPGDLMNA
SCHEMBL16583722 0.76 THRB (0.39) ALDH1A1KDM4ETSHRLMNAPOLB
SCHEMBL23550074 0.75 KDM4E (0.46) ALDH1A1KDM4EEPHX2LMNAPOLB
SCHEMBL14581094 0.75 EPHX2 (0.35) ALDH1A1KDM4EEPHX2CYP1A2CYP3A4
SCHEMBL27353986 0.75 EPHX2 (0.38) ALDH1A1KDM4EEPHX2CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772341-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2010-08-10 US disclosed
US-7728090-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2010-06-01 US disclosed
US-20100087659-A1 NORBORNENE COMPOUNDS WITH CROSS-LINKABLE GROUPS AND THEIR DERIVATIVES LIAW DER-JANG 2010-04-08 US disclosed
US-7323518-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-01-29 US disclosed
US-7309751-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-12-18 US disclosed
US-7271223-B2 Norbomene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-09-18 US disclosed
US-7271230-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-09-18 US disclosed
US-20070073018-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070073079-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070073080-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070073017-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070066774-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070073080-A1 Norbornene compounds with cross-linkable groups and their derivatives OXER1, SQLE, ALOX12 ALDH1A1 638/4885KDM4E 3761/4885TSHR 4131/4885
US-20070073079-A1 Norbornene compounds with cross-linkable groups and their derivatives OXER1, SQLE, ALOX12 ALDH1A1 638/4885KDM4E 3761/4885TSHR 4131/4885
US-20100087659-A1 NORBORNENE COMPOUNDS WITH CROSS-LINKABLE GROUPS AND THEIR DERIVATIVES SQLE, OXER1, MACF1 ALDH1A1 476/4885KDM4E 3982/4885TSHR 4521/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.